[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-ethoxyphenoxy)butanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-ethoxyphenoxy)butanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(2-ethoxyphenoxy)butanoate CAS Name: 4-(2-ethoxyphenoxy)butanoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate Traditional Name: 4-(2-ethoxyphenoxy)butyric acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7/c1-3-28-18-11-6-7-12-19(18)29-14-8-13-20(24)30-15(2)21(25)22-16-9-4-5-10-17(16)23(26)27/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,22,25)